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canSAR562712
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NAMES
    SMILES
    CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)cc1.Cl
    InChI
    InChI=1S/C21H23NO3.ClH/c1-21(2,3)16-7-4-15(5-8-16)6-11-20(23)22-17-9-10-18-19(14-17)25-13-12-24-18;/h4-11,14H,12-13H2,1-3H3,(H,22,23);1H/b11-6+;
    MOLECULAR FORMULA
    C21H24ClNO3
    CROSS REFERENCES
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    canSAR562712

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 373.14
    AlogP 4.83
    HBond donors 1
    HBond acceptors 4
    Atoms 50
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR562712.